(phenylmethyl) N-[2-[(2S)-2-[[(2S)-5-[[azanyl-[(2,4,6-trimethylphenyl)sulfonylamino]methylidene]amino]-1-[(2S)-2-[(4-nitrophenyl)carbamoyl]pyrrolidin-1-yl]-1-oxidanylidene-pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxidanylidene-ethyl]carbamate

Systemtic Name: (phenylmethyl) N-[2-[(2S)-2-[[(2S)-5-[[azanyl-[(2,4,6-trimethylphenyl)sulfonylamino]methylidene]amino]-1-[(2S)-2-[(4-nitrophenyl)carbamoyl]pyrrolidin-1-yl]-1-oxidanylidene-pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxidanylidene-ethyl]carbamate Openeye Name: benzyl N-[2-[(2S)-2-[[(1S)-4-[[amino-[(2,4,6-trimethylphenyl)sulfonylamino]methylene]amino]-1-[(2S)-2-[(4-nitrophenyl)carbamoyl]pyrrolidine-1-carbonyl]butyl]carbamoyl]pyrrolidin-1-yl]-2-oxo-ethyl]carbamate CAS Name: N-[2-[(2S)-2-[[[(2S)-5-[[amino-[(2,4,6-trimethylphenyl)sulfonylamino]methylidene]amino]-1-[(2S)-2-[(4-nitroanilino)-oxomethyl]-1-pyrrolidinyl]-1-oxopentan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-2-oxoethyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[2-[(2S)-2-[[(2S)-5-[[amino-[(2,4,6-trimethylphenyl)sulfonylamino]methylidene]amino]-1-[(2S)-2-[(4-nitrophenyl)carbamoyl]pyrrolidin-1-yl]-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]carbamate Traditional Name: N-[2-[(2S)-2-[[(1S)-4-[[amino-(mesitylsulfonylamino)methylene]amino]-1-[(2S)-2-[(4-nitrophenyl)carbamoyl]pyrrolidine-1-carbonyl]butyl]carbamoyl]pyrrolidino]-2-keto-ethyl]carbamic acid benzyl ester Formula: C41H51N9O10S MolecularWeight: 861.96294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)NC(=NCCCC(C(=O)N2CCCC2C(=O)NC3=CC=C(C=C3)[N+](=O)[O-])NC(=O)C4CCCN4C(=O)CNC(=O)OCC5=CC=CC=C5)N)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)NC(=NCCC[C@@H](C(=O)N2CCC[C@H]2C(=O)NC3=CC=C(C=C3)[N+](=O)[O-])NC(=O)[C@@H]4CCCN4C(=O)CNC(=O)OCC5=CC=CC=C5)N)C

InChI

InChI=1S/C41H51N9O10S/c1-26-22-27(2)36(28(3)23-26)61(58,59)47-40(42)43-19-7-12-32(39(54)49-21-9-14-34(49)37(52)45-30-15-17-31(18-16-30)50(56)57)46-38(53)33-13-8-20-48(33)35(51)24-44-41(55)60-25-29-10-5-4-6-11-29/h4-6,10-11,15-18,22-23,32-34H,7-9,12-14,19-21,24-25H2,1-3H3,(H,44,55)(H,45,52)(H,46,53)(H3,42,43,47)/t32-,33-,34-/m0/s1